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3-[(3S,11E)-14,16-dihydroxy-3-methyl-1,7-dioxo-3,4,5,6,7,8,9,10-octahydro-1H-2-benzoxacyclotetradecin-15-yl]-N-[2-(1H-pyrazol-1-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)propanamide

Catalog ID
STL552138
SMILES COc1cc(cc(c1OC)OC)C(c1c(O)cc2c(c1O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/2)CC(=O)NCCn1cccn1

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C35H43N3O9 MW 649.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H43N3O9/c1-22-10-8-13-25(39)12-7-5-6-11-23-18-27(40)32(33(42)31(23)35(43)47-22)26(21-30(41)36-15-17-38-16-9-14-37-38)24-19-28(44-2)34(46-4)29(20-24)45-3/h6,9,11,14,16,18-20,22,26,40,42H,5,7-8,10,12-13,15,17,21H2,1-4H3,(H,36,41)/b11-6+/t22-,26?
InChIKey
KLYBZEUQYZTMMD-FICULBEYSA-N
Synonyms

135640423
3((3S11E)1416dihydroxy3methyl17dioxo345678910octahydro1H2benzoxacyclotetradecin15yl)N(2(1Hpyrazol1yl)ethyl)3(345trimethoxyphenyl)propanamide
3((4~(S)12~(E))1618dihydroxy4methyl28dioxo3oxabicyclo(1240)octadeca1(18)121416tetraen17yl)~(N)(2pyrazol1ylethyl)3(345trimethoxyphenyl)propanamide
COc1cc(cc(c1OC)OC)C(c1c(O)cc2c(c1O)C(=O)O(C@@H)(C)CCCC(=O)CCCC=C2)CC(=O)NCCn1cccn1
InChI=1SC35H43N3O9c1221081325(39)1275611231827(40)32(33(42)31(23)35(43)4722)26(2130(41)36151738169143738)241928(442)34(464)29(2024)453h69111416182022264042H578101213151721H214H3(H3641)b116+t2226?m0s1
N(2(1Hpyrazol1yl)ethyl)3((SE)1416dihydroxy3methyl17dioxo345678910octahydro1Hbenzo(c)(1)oxacyclotetradecin15yl)3(345trimethoxyphenyl)propanamide
ZINC001547139143
ZINC001547139145

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Available files

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